Liquid—liquid extraction column (rotating disc contactor)—model parameters from drop size distribution and solute concentration measurements

The practical application of an extraction column model which takes into account the influence of drop-size distribution (i.e. the ‘forward mixing’ model) is brought forward by the generation, from experimental data, of values of the mass transfer and axial dispersion coefficients required by the model. Values of these coefficients were generated from drop-size distribution and solute concentration profile measurements in a 22 cm diam. rotating disc contactor. The use of the Handlos-Baron drop mass transfer model is justified. The resulting continuous phase transfer coefficients were found to be dependent only on disc speed. Continuous phase axial dispersion coefficients were much higher than tracer-correlation predicted values at higher flows, and larger drop sizes. An explanation for this is presented.     

Modeling and simulation of a horizontal pulsed sieve-plate extraction column using axial dispersion model

In this research, the impact of pulsation intensity and phase flow rates on the volumetric overall mass transfer coefficients based on the continuous phase (K_oca) and the axial dispersion coefficients of phases in a horizontal pulsed sieve-plate column has been investigated using axial dispersion model. The toluene-acetone-water and butyl acetate-acetone-water systems with acetone transfer in both directions were used. In this study, the flow regime transition from pseudo-dispersion regime to emulsion regime has been characterized. Two new correlations have been proposed for prediction of K_oca and E_c.     

Hydrodynamic and mass transfer parameter correlations for the rotating disc contactor

The normal, fragmented manner in which various model hydrodynamic and mass transfer parameters are measured and correlated separately, in the vain hope that accurate predictions of extraction column performance will be eventually possible, is avoided here. The ‘forward mixing’ model parameters are all determined simultaneously, in experiments with two sizes of rotating disc contactor where all required measurements, including drop size distributions and continuous phase profile compositions, are made during solute transfer between phases. Accurate predictions from the derived correlations of dispersed phase hold-up fraction, drop size distributions and extraction efficiency are the result.     

萃取塔数学模型及过程强化的若干研究进展

萃取塔因生产能力大、占地面积小、密闭性好等优点,在石油、化工、生物、医药和环境工程等多领域被广泛应用。本文从以下几个方面介绍了萃取塔近些年的研究进展：综述了传统萃取塔（脉冲萃取塔、转盘塔与Kühni塔等）的水力学、轴向扩散与传质模型的发展,分析比较了表面张力、传质方向、放大效应等因素对模型的影响;介绍了计算流体动力学（CFD）在萃取塔中单液滴、单相流模拟、液-液两相流模拟、外加能量模拟、与群体平衡模型（PBM）耦合模拟中的应用进展;介绍了国内外设计开发的新型萃取塔,包括改变传统塔的内构件和引入多种外场能量等方式来强化相间传质。研究表明,将先进实验研究方法、准确经验模型和可靠理论计算相结合,将会是萃取塔研究的重要手段和方向。     

Modeling the axial distribution of mass transfer coefficient in an agitated-pulsed extraction column

The dispersed phase holdup and drop size in solvent extraction columns vary along the column height and this affects the mass transfer coefficient and interfacial area. In this article, mass transfer study was performed experimentally using a 25 mm diameter agitated pulsed column. The axial distribution of mass transfer coefficient was determined by coupling population balance equation and axial dispersion model by taking the longitudinal variation in hydrodynamic performance into consideration. Feasibility of different mass transfer models in predicting concentration profiles was evaluated and a novel correlation based on effective diffusivity was developed. The results showed that both overall and volumetric mass transfer coefficients have significant change along the column height and greatly depends on the agitation speed and pulsation intensity. Increasing dispersed phase velocity also augments the overall mass transfer coefficient. The maximum number of transfer unit was measured to be 10 m⁻¹ at agitation speed of 1000 rpm.     

A dynamic forward mixing model for evaluating the mass transfer performances of an extraction column

It is well known that the droplet behavior of the dispersed phase in extraction equipments has a strong influence on the mass transfer performances. It is, and will continuously be a key project for design and scaling up of extraction columns. In this work, a dynamic mass transfer model, considering the effect of forward mixing led by the drop size distribution and the axial mixing of the continuous phase, has been developed, by which the axial mixing characteristic can be easily evaluated when a stimulus-response dynamic curve is obtained. In order to test the mass transfer model and to study in the effect of droplet coalescence on mass transfer performance, a typical experimental system of 30% tributyl phosphate (in kerosene)-nitric acid-water with interface intension of 0.00995 N/m was chosen to investigate the mass transfer in a coalescence-dispersion pulsed-sieve-plate extraction column (CDPSEC) with 150 mm in diameter. The two-point dynamic method was applied to get the stimulus-response curves. With these results the axial mixing of the CDPSEC were evaluated. The calculated results showed that the response curves could be predicted with the new mass transfer model very well. The model has marked advantages over the traditional diffusion model. It is closer to the practice, easier to solve for the mathematical equations and boundary conditions, and has only one parameter to be optimized. The calculated results also showed that the influence of local coalescence of droplets on mass transfer performances is obvious.     

往复振动筛板萃取塔放的大设计模型

对往复振动筛板萃取塔（RPEC）塔内的传质过程进行了理论分析，并在此基础上，从单液滴传质模型出发，应用数学统计方法建立了RPEC放大设计模型，即进行放大设计时应遵循通量、塔板间距、振幅和频率不变的原则计算表观传质单元高度H_OXP.采用林可霉素-正丁醇-酸水物系对塔径100 mm的RPEC实验塔研究表明：真实传质单元高度H_OX与体系物性、表观速度、输入能量（振幅A×频率f）有关，而与塔径无关，且不受轴向混合的影响，模型较好地预测了H_OX随输入能量的增加而减小，而通量的变化则对其影响较小;分散传质单元高度H_OXD是塔径D、输入能量、通量U_s和体系物性的函数，实验结果表明模型较好地描述了输入能量和通量增加强化传质起主导作用，有效降低分散传质单元高度H_OXD的传质过程部分，而不能描述轴向混合起主导作用部分.应用放大设计模型对直径325 mm的RPEC放大设计结果验证模型的预测误差在20％以内.     

Use of axial dispersion and plug flow models for determination of axial mixing and mass transfer coefficient in an l‐shaped pulsed packed extraction column

In this study, the volumetric overall mass transfer and phases axial mixing coefficients have been investigated in a pilot plant of an L‐shaped pulsed packed extraction column by using two liquid systems of toluene/acetone/water and n‐butyl/acetone/water. The mass transfer performance has been evaluated using two methods of axial dispersion and a plug flow model. The effect of the operational variables and physical properties, including the dispersed and continuous phases flow rates, pulsation intensity, and interfacial tension, on mass transfer and phases axial mixing coefficients have been considered. It has been found that the pulsation intensity and the continuous phase flow rate seriously affect the mass transfer coefficient, however, the dispersed phase flow rate has a weaker effect. Also, the axial mixing of a phase is strongly affected by the pulsation intensity and the flow rate of the phase itself and it is not affected by the second phase flow rate. Finally, new correlations are proposed to accurately predict the mass transfer and axial mixing coefficients.     

Simulation of the population balances for liquid-liquid systems in a nonideal stirred tank. Part 2—parameter fitting and the use of the multiblock model for dense dispersions

In the previous part of this work (Chem. Eng. Sci. 54 (1999) 5887), a multiblock simulation model was developed in order to allow the close examination of different regions of a stirred tank for drop size distribution calculations. In this paper, that model is tested in a parameter fitting procedure. The drop breakage and coalescence parameters are fitted against drop size measurements from dense liquid-liquid dispersions, which were assumed fully turbulent. Since the local turbulence and flow values of a stirred tank are used in the present model, the fundamental breakage and coalescence phenomena can be examined more closely. Furthermore, the present model is capable of predicting inhomogeneities occurring in a stirred tank. It is also to be considered as an improved tool for process scale-up, compared to the simple vessel-averaged population balance approach, or use of correlations of dimensionless numbers only. The present model can use two sources of data for fitting parameters in the drop rate functions. One is to use transient data of the measured drop size distribution as the impeller speed is changed. The other is to use time-averaged data measured at different locations of the stirred tank. It is shown in this paper that the different flow regions can be chosen from the CFD simulations in a straightforward manner. CFD flow simulation results can be used to select the flow regions when no experimentally obtained flow conditions are available. This is especially useful for non-standard vessels, such as reactors containing cooling coils. After fitting the parameters with a multiblock model, the population balance model can be rather easily incorporated into a commercial CFD program to investigate different flow conditions.     

Predicting the extraction yield of nimbin from neem seeds in supercritical CO2 using group contribution methods, equations of state and a shrinking core extraction model

The purpose of this paper is to present the predicted extraction of nimbin from neem seeds using supercritical CO₂ when only the molecule structure of nimbin is known. Group contribution methods (GCM) were used to estimate pure component properties, equations of state (EoS) to estimate the pressure/volume/temperature (PVT) behaviour and fugacity coefficient of solute in the solute–solvent mixture. Transport properties were estimated using available correlations and a shrinking core model was used to predict the extraction yield. The model predictions were compared with experimental data; the effect of CO₂ flow rate (0.24–1.24 mL/min), temperature (308–333 K), pressure (10–26 MPa), particle size (0.575–1.850 mm) and weight of neem kernel powder (1.0–2.5 g) were investigated. The predicted results were found to agree well with the measured results and the model was able to explain the presence of optimum yields that were observed experimentally.     

A modified model of computational mass transfer for distillation column

The computational mass transfer (CMT) model is composed of the basic differential mass transfer equation, closing with auxiliary equations, and the appropriate accompanying CFD formulation. In the present modified CMT model, the closing auxiliary equations [Liu, B.T., 2003. Study of a new mass transfer model of CFD and its application on distillation tray. Ph.D. Dissertation, Tianjin University, Tianjin, China; Sun, Z.M., Liu, B.T., Yuan, X.G., Liu, C.J., Yu, K.T., 2005. New turbulent model for computational mass transfer and its application to a commercial-scale distillation column. Industrial and Engineering Chemistry Research 44, 4427-4434] are further simplified for reducing the complication of computation. At the same time, the CFD formulation is also improved for better velocity field prediction. By this complex model, the turbulent mass transfer diffusivity, the three-dimensional velocity/concentration profiles and the efficiency of mass transfer equipment can be predicted simultaneously. To demonstrate the feasibility of the proposed simplified CMT model, simulation was made for distillation column, and the simulated results are compared with the experimental data taken from literatures. The predicted distribution of liquid velocity on a tray and the average mass transfer diffusivity are in reasonable agreement with the reported experimental measurement [Solari, R.B., Bell, R.L., 1986. Fluid flow patterns and velocity distribution on commercial-scale sieve trays. AI.Ch.E. Journal 32, 640-649; Cai, T.J., Chen, G.X., 2004. Liquid back-mixing on distillation trays. Industrial and Engineering Chemistry Research 43, 2590-2597]. In applying the modified model to a commercial scale distillation tray column, the predictions of the concentration at the outlet of each tray and the tray efficiency are satisfactorily confirmed by the published experimental data [Sakata, M., Yanagi, T., 1979. Performance of a commercial scale sieve tray. Institution of Chemical Engineers Symposium Series, vol. 56, pp. 3.2/21-3.2/34]. Furthermore, the validity of the present model is also shown by checking the computed results with a reported pilot-scale tray column [Garcia, J.A., Fair, J.R., 2000. A fundamental model for the prediction of distillation sieve tray efficiency. 1. Database development. Industrial and Engineering Chemistry Research 39, 1809-1817] in the bottom concentration and the overall tray efficiency under different operating conditions. The modified CMT model is expected to be useful in the design and analysis of distillation column.